Dossier: Fluids-Polymers Interactions: Permeability, Durability
Open Access
Issue
Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles
Volume 70, Number 2, March–April 2015
Dossier: Fluids-Polymers Interactions: Permeability, Durability
Page(s) 227 - 235
DOI https://doi.org/10.2516/ogst/2012074
Published online 14 March 2013
  • Ravens D.A.S., Ward I.M. (1961) Chemical reactivity of polyethylene terephthalate. Hydrolysis and esterification reactions in the solid phase, Trans. Faraday Soc. 57, 150–159. [CrossRef]
  • Kamiya Y., Hirose T., Mizoguchi K., Naito Y. (1986) Gravimetric study of high-pressure sorption of gases in polymers, J. Polymer Sci. B: Polym. Phys. 24, 1525–1539. [CrossRef]
  • Wong B., Zhang Z., Handa Y.P. (1998) High-precision gravimetric technique for determining the solubiliy and diffusivity of gases in polymers, J. Polymer Sci. B: Polym. Phys. 36, 2025–2032. [CrossRef]
  • Chaudhary B.I., Johns A.I. (1998) Solubilities of nitrogen, isobutane and carbon dioxide in polyethylene, J. Cell. Plast. 34, 312–328.
  • Michaels A.S., Bixler H.J. (1961) Solubility of gases in polyethylene, J. Polym. Sci. 50, 393–412. [CrossRef]
  • Michaels A.S., Bixler H.J. (1961) Flow of gases through polyethylene, J. Polym. Sci. 50, 413–439. [CrossRef]
  • Laguna M.F., Guzmàn J., Riande E. (2001) Transport of carbon dioxide in linear low-density polyethylene determined by permeation measurements and NMR spectroscopy, Polymer 42, 4321–4327. [CrossRef]
  • Vrentas J.S., Duda J.L. (1977) Diffusion in polymer-solvent systems. I. Reexamination of the free-volume theory, J. Polym. Sci.: Polym. Phys. Ed. 15, 403–416. [CrossRef]
  • Vrentas J.S., Vrentas C.M. (1994) Solvent self-diffusion in glassy polymer-solvent systems, Macromolecules 27, 5570–5576. [CrossRef]
  • Vrentas J.S., Vrentas C.M., Faridi N. (1996) Effects of solvent size on solvent self-diffusion in polymer-solvent sysems, Macromolecules 29, 3272–3276. [CrossRef]
  • Vieth W.R., Sladek K.J. (1965) A model for diffusion in a glassy polymer, J. Colloid Sci. 20, 1014–1033. [CrossRef]
  • Petropoulos J.H. (1970) Quantitative analysis of gaseous diffusion in glassy polymers, J. Polymer Sci. A-2: Polym. Phys. 8, 1797–1801. [CrossRef]
  • Paul D.R., Koros W.J. (1976) Effect of partially immobilizing sorption on permeability and the diffusion time lag, J. Polym. Sci.: Polym Phys. Ed. 14, 675–685. [CrossRef]
  • Petropoulos J.H. (1990) Some fundamental approaches to membrane gas permeability and permselectivity, J. Membr. Sci. 53, 229–258. [CrossRef]
  • Brandt W.W. (1959) Model calculation of the temperature dependence of small molecule diffusion in high polymers, J. Phys. Chem. 63, 1080–1085. [CrossRef]
  • Pace R.J., Datyner A. (1979) Statistical mechanical model for diffusion of simple penetrants in polymers. I. Theory, J. Polym. Sci.: Polym Phys. Ed. 17, 437–451. [CrossRef]
  • Pace R.J., Datyner A. (1979) Statistical mechanical model for diffusion of simple penetrants in polymers. II. Applicationsnonvinyl polymers, J. Polym. Sci.: Polym. Phys. Ed. 17, 453–464. [CrossRef]
  • Pace R.J., Datyner A. (1979) Statistical mechanical model for diffusion of simple penetrants in polymers. III. Applicationsvinyl and related polymers, J. Polym. Sci.: Polym. Phys. Ed. 17, 465–476. [CrossRef]
  • Gusev A.A., Suter U.W. (1991) Theory for solubility in static systems, Phys. Rev. A 43, 6488–6494. [CrossRef] [PubMed]
  • Müller-Plathe F. (1991) Calculation of the free energy for gas absorption in amorphous polypropylene, Macromolecules 24, 6475–6479. [CrossRef]
  • Widom B. (1963) Some topics in the theory of fluids, J. Chem. Phys. 39, 2808–2812. [CrossRef]
  • de Pablo J.J., Laso M., Suter U.W. (1993) Simulation of the solubility of alkanes in polyethylene, Macromolecules 26, 6180–6183. [CrossRef]
  • Eslami H., Müller-Plathe F. (2007) Molecular dynamics simulation of sorption of gases in polystyrene, Macromolecules 40, 17, 6413–6421. [CrossRef]
  • Kucukpinar E., Doruker P. (2003) Molecular simulations of small gas diffusion and solubility in copolymers of styrene, polymer 44, 3607–3620. [CrossRef]
  • Neyertz S., Brown D. (2004) Influence of system size in molecular dynamics simulations of gas permeation in glassy polymers, Macromolecules 37, 10109–10122. [CrossRef]
  • Eslami H., Mehdipour N. (2011) Grand canonical ensemble molecular dynamics of water solubility in polyamide-6,6, Phys. Chem. Chem. Phys. 13, 669–673. [CrossRef] [PubMed]
  • Cozmuta I., Blanco M., Goddard W.A. III (2007) Gas sorption and barrier properties of polymeric membranes from molecular dynamics and Monte Carlo simulations, J. Phys. Chem. B 111, 3151–3166. [CrossRef] [PubMed]
  • Eslami H., Müller-Plathe F. (2009) Water permeability of poly(ethylene terephthalate): A grand canonical ensemble molecular dynamics simulation study, J. Chem. Phys. 131, 234904. [CrossRef] [PubMed]
  • Gusev A.A., Müller-Plathe F., van Gunsteren W.F., Suter U.W. (1994) Dynamics of small molecules in bulk polymers, Adv. Polym. Sci. 116, 207–247. [CrossRef]
  • Müller-Plathe F. (1994) Permeation of polymers - a computational approach, Acta Polymerica 45, 259–293. [CrossRef]
  • Müller-Plathe F. (1991) Diffusion of penetrants in amorphous polymers: A molecular dynamics study, J. Chem. Phys. 94, 3192–3199. [CrossRef]
  • Müller-Plathe F., Laaksonen L., van Gunsteren W.F. (1993) Cooperative effects in the transport of small molecules through an amorphous polymer matrix, J. Mol. Graph. 11, 118–120. [CrossRef] [PubMed]
  • Takeuchi H. (1990) A jump motion of small molecules in glassy polymers: A molecular dynamics simulation, J. Chem. Phys. 93, 2062–2067. [CrossRef]
  • Pant P.V.K., Boyd R.H. (1993) Molecular dynamics simulation of diffusion of small penetrants in polymers, Macromolecules 26, 679–686. [CrossRef]
  • van der Vegt N.F.A. (2000) Temperature dependence of gas transport in polymer melts: Molecular dynamics simulations of CO2 in polyethylene, Macromolecules 33, 3153–3160. [CrossRef]
  • van der Vegt N.F.A., Briels W.J., Wessling M., Strathmann H. (1996) Free energy calculations of small molecules in dense amorphous polymers. Effect of the initial guess configuration in molecular dynamics studies, J. Chem. Phys. 105, 8849–8857. [CrossRef]
  • Nath S.K., de Pablo J.J. (1999) Solubility of small molecules and their mixtures in polyethylene, J. Phys. Chem. B 103, 3539–3544. [CrossRef]
  • Hu N., Fried J.R. (2005) The atomistic simulation of the gas permeability of poly[bis(2,2,2-trifluoroethoxy)phosphazene], Polymer 46, 4330–4343. [CrossRef]
  • Michaels A.S., Hausslein R.W. (1965) Elastic factors controlling sorption and transport properies of polyethylene, J. Polym. Sci. Polym. Lett. 10, 61–86. [CrossRef]
  • Rogers C.E., Stannett V., Szwarc M. (1959) The sorption of organic vapors by polyethylene, J. Phys. Chem. 63, 1406–1413. [CrossRef]
  • Rogers C.E., Stannett V., Szwarc M. (1960) The sorption, diffusion, and permeation of organic vapors in polyethylene, J. Polymer Sci. 45, 61–82. [CrossRef]
  • Flory P.J., Rehner J. (1943) Statistical mechanics of crosslinked polymer networks I. Rubberlike elasticity, J. Chem. Phys. 11, 512–520. [CrossRef]
  • Flory P.J., Rehner J. (1943) Statistical mechanics of crosslinked polymer networks II. Swelling, J. Chem. Phys. 11, 521–526. [CrossRef]
  • Doong S.J., Ho W.S.W. (1991) Sorption of organic vapors in polyethylene, Ind. Eng. Chem. Res. 30, 1351–1361. [CrossRef]
  • Serna L.V., Becker J.L., Galdámez J.R., Danner R.P., Duda J.L. (2008) Elastic effects on solubiliy in semicrystalline polymers, J. Appl. Polymer Sci. 107, 138–146. [CrossRef]
  • Banasazak B.J., Lo D., Widya T., Ray W.H., de Pablo J.J., Novak A., Kosek J. (2004) Ethylene and 1-hexene sorption in LLDPE under typical gas phase reactor conditions: A priori simulation and modeling for prediction of experimental observations, Macromolecules 37, 9139–9150. [CrossRef]
  • Castro E.F., Gonzo E.E., Gottifredi J.C. (1996) The analysis of sorption data of organic vapors in polymeric membranes through novel theories, J. Membr. Sci. 113, 57–64. [CrossRef]
  • Memari P., Lachet V., Rousseau B. (2010) Molecular simulation of the solubility of gases in polyethylene below its melting temperature, Polymer 51, 4978–4984. [CrossRef]
  • Memari P., Lachet V., Klopffer M.-H., Flaconnèche B., Rousseau B. (2012) Gas mixture solubilities in polyethylene below its melting temperature: Experimental and molecular simulation studies, J. Membr. Sci. 390–391, 194–200. [CrossRef]
  • Martyna G.J. (1996) Explicit reversible integrators for extended systems dynamics, Mol. Phys. 87, 1117–1157. [CrossRef]
  • Andersen H.C. (1983) Rattle: A “velocity’’ version of the shake algorithm for molecular dynamics calculations, J. Comput. Phys. 52, 24–34. [CrossRef]
  • Allen M.P., Tildesley D.J. (1987) Computer Simulation of Liquids, Clarendon Press, Oxford.
  • Hedenqvist M., Angelstok A., Edsberg L., Larsson P.T., Gedde U.W. (1996) Diffusion of small-molecule penetrants in polyethylene: Free volume and morphology, Polymer 37, 2887–2902. [CrossRef]
  • Taylor R., Krishna R. (1993) Multicomponent Mass Transfer, John Wiley, New York.
  • Naito Y., Mizoguchi K., Terada K., Kamiya Y. (1991) The effect of pressure on gas permeation through semicrystalline polymers above the glass transition temperature, J. Polym. Sci. B: Polym. Phys. 29, 457–462. [CrossRef] [MathSciNet]
  • Ash R., Barrer R.M., Palmer D.G. (1970) Solubility and transport of gases in nylon and polyethylene, Polymer 11, 421–435. [CrossRef]
  • Togawa J., Horiuchi J., Kanno T., Kobayashi M. (2001) Freezepurged- desorption method for quantitative evaluation of CO2- solubility in polymeric films, J. Membr. Sci. 182, 125–128. [CrossRef]
  • von Solms N., Nielsen J.K., Hassager O., Rubin A., Dandekar A.Y., Andersen S.I., Stenby E.H. (2004) Direct measurement of gas solubilities in polymers with a high-pressure microbalance, J. Appl. Polym. Sci. 91, 1476–1488. [CrossRef]
  • Durrill P.L., Griskey R.G. (1969) Diffusion and solution of gases into thermally softened or molten polmers: Part II. Relation of diffusivities and solubilities with temperature pressure and structural characteristics, AIChE J. 15, 106–110. [CrossRef]
  • Pino M., Duckett R.A., Ward I.M. (2005) Single and mixed gas diffusion through polyethylene films, Polymer 46, 4882–4890. [CrossRef]
  • Lundberg J.L. (1964) Diffusivities and solubilities of methane in linear polyethylene melts, J. Polym. Sci. A: Gen. Pap. 2, 3925–3931. [CrossRef]
  • Vittoria V. (1995) Influence of the crystallinity on the transport properties of polyethylene, J. Mater. Sci. 30, 3954–3958. [CrossRef]
  • Müller-Plathe F. (1992) Molecular dynamics simulation of gas transport in amorphous polypropylene, J. Chem. Phys. 96, 3200–3205. [CrossRef]
  • Mozaffari F., Eslami H., Moghadasi J. (2010) Molecular dynamics simulation of diffusion and permeation of gases in polystyrene, Polymer 51, 300–307. [CrossRef]
  • Memari P. (2011) Perméation des Gaz dans les Polymères Semi-cristallins par Modélisation Moléculaire, PhD Thesis, Université Paris-Sud 11.
  • Flaconnèche B., Martin J., Klopffer M.H. (2001) Permeability, diffusion and solubility of gases in polyethylene, polyamide 11 and poly(vinylidene fluoride), Oil Gas Sci. Technol. - Rev. IFP 56, 261–278. [CrossRef] [EDP Sciences] [OGST]
  • Yao W., Hu X., Yang Y. (2007) Modeling solubility of gases in semicrystalline polyethylene, J. Appl. Polym. Sci. 103, 1737–1744. [CrossRef]

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